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Home > Fluorides > 1217728-65-8
1217728-65-8 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,4-dimethyl-
CAS No: 1217728-65-8 Catalog No: AG0015XW MDL No:MFCD06659141
Product Description
Catalog Number:
AG0015XW
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,4-dimethyl-
CAS Number:
1217728-65-8
Molecular Formula:
C26H25NO4
Molecular Weight:
415.4810
MDL Number:
MFCD06659141
IUPAC Name:
(2S)-3-(2,4-dimethylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C26H25NO4/c1-16-11-12-18(17(2)13-16)14-24(25(28)29)27-26(30)31-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23-24H,14-15H2,1-2H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChI Key:
MXBSNHLSKRVUBF-DEOSSOPVSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
415.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.489g/mol
Monoisotopic Mass:
415.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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